Dataset: MK01
Key Value Description Download
Target MK01 gene id ###
Name MAP kinase ERK2 protein name ###
Super-family Kinase protein class ###
PDB ID 2ojg the protein structure in TocoDDB click here
Pocket (x, y, z) -14.05, 13.52, 41.58 the center coordinate of the protein pocket click here
Actives 79 the number of active ligands ###
Topology decoys 4000 the number pf topology decoys click here
Conformation decoys 1203 the number of decoy conformations click here
Decoys 5203 the number of total decoys ###
Total 5282 the size of TocoDDB click here
Source DUDE the source of active ligands ###
Benchmark
Scoring Function TN FP FN TP F1 Score EF0.5% EF1% EF5% ROAUC PRAUC BedROC
InteractionGraphNet 511 4 2 6 0.667 65.375 52.300 15.087 0.865 0.629 0.889